About Lead Molecules ADMET
Pharmacokinetics study is the most important steps in drug designing. The failure of 90% of drug leads during pharmaceutical trials is perhaps the major strategic issue facing today's pharmaceutical industry. It has been estimated that a 12% reduction in this attrition (i.e., just one in eight fewer failures) could save the industry 43% on the cost of clinical development. The biggest single cause of such failures is issues with ADME (adsorption, distribution, metabolism, and excretion) or toxicity properties. Most of drugs failed because of its toxicity, non-specificity, bioability. Since ADMET (absorption, dissociation, mrtabolism, excretion and toxicity) study is very important steps in drug designing. Its a very time consuming, tedious and also required huge amount of money and man power. Computer is very important tool for this its save time and money both.
Here we are giving database which contains resources of the ADMET data of small molecules and also online software which calculate these.
Accelrys Metabolism
Accord
CPDB (Crcinogenic Potency Database)
DSSTox
MDL Metabolite
MDL Toxicity
Some other online tools and software available for calculation of ADMET.
Molinspiration
TOPKAT
PreADMET ADMET Prediction
PreADMET Toxicity Prediction
For our other work visit @ Raghva's Homepage
Pharmacokinetics study is the most important steps in drug designing. The failure of 90% of drug leads during pharmaceutical trials is perhaps the major strategic issue facing today's pharmaceutical industry. It has been estimated that a 12% reduction in this attrition (i.e., just one in eight fewer failures) could save the industry 43% on the cost of clinical development. The biggest single cause of such failures is issues with ADME (adsorption, distribution, metabolism, and excretion) or toxicity properties. Most of drugs failed because of its toxicity, non-specificity, bioability. Since ADMET (absorption, dissociation, mrtabolism, excretion and toxicity) study is very important steps in drug designing. Its a very time consuming, tedious and also required huge amount of money and man power. Computer is very important tool for this its save time and money both.
Here we are giving database which contains resources of the ADMET data of small molecules and also online software which calculate these.
Accelrys Metabolism
Accord
CPDB (Crcinogenic Potency Database)
DSSTox
MDL Metabolite
MDL Toxicity
Some other online tools and software available for calculation of ADMET.
Molinspiration
TOPKAT
PreADMET ADMET Prediction
PreADMET Toxicity Prediction
For our other work visit @ Raghva's Homepage